(6S)-3,6-dimethyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole

C8H12N2 — CID 174137267

IUPAC(6S)-3,6-dimethyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole
SMILESCc1[nH]nc2c1CC[C@@H]2C
InChIInChI=1S/C8H12N2/c1-5-3-4-7-6(2)9-10-8(5)7/h5H,3-4H2,1-2H3,(H,9,10)/t5-/m0/s1
InChIKeyBGIYVSDQRAFGEH-YFKPBYRVSA-N
MW136.20 g/mol
LogP1.77
Rot. Bonds

About (6S)-3,6-dimethyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole

(6S)-3,6-dimethyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole (PubChem CID 174137267) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is (6S)-3,6-dimethyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole.

Molecular Properties

Compound Name(6S)-3,6-dimethyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole
PubChem CID174137267
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name(6S)-3,6-dimethyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole
SMILESCc1[nH]nc2c1CC[C@@H]2C
InChIInChI=1S/C8H12N2/c1-5-3-4-7-6(2)9-10-8(5)7/h5H,3-4H2,1-2H3,(H,9,10)/t5-/m0/s1
InChIKeyBGIYVSDQRAFGEH-YFKPBYRVSA-N
XLogP1.77
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (6S)-3,6-dimethyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole?
The IUPAC name of (6S)-3,6-dimethyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole (CID 174137267) is (6S)-3,6-dimethyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole.
What is the SMILES notation for (6S)-3,6-dimethyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole?
The canonical SMILES for (6S)-3,6-dimethyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole is Cc1[nH]nc2c1CC[C@@H]2C.
What is the InChIKey of (6S)-3,6-dimethyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole?
The InChIKey is BGIYVSDQRAFGEH-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H12N2/c1-5-3-4-7-6(2)9-10-8(5)7/h5H,3-4H2,1-2H3,(H,9,10)/t5-/m0/s1.
What are the key properties of (6S)-3,6-dimethyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole?
(6S)-3,6-dimethyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole has a molecular weight of 136.20 g/mol, XLogP of 1.77, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-3,6-dimethyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole is sourced from PubChem (CID 174137267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).